{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 10.4694 0 0 ] "si-unit" "m" "si-value" [ 1.04694e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.30232 9.08443 0 ] "si-unit" "m" "si-value" [ -5.302320000000001e-10 9.084429999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.426787 0.0377515 10.129 ] "si-unit" "m" "si-value" [ 4.267870000000001e-11 3.775150000000001e-12 1.0129e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.124766 -0.0254336 0.0301791 ] [ 0.420976 -0.159557 2.5311 ] [ 0.274807 -0.02529 5.30948 ] [ 0.213792 -0.0234977 7.58212 ] [ -1.202 2.37613 -0.080569 ] [ -1.15815 1.84991 2.69093 ] [ -0.991192 2.23964 5.61161 ] [ -0.97293 2.29898 7.60055 ] [ -2.91373 4.53149 0.0835674 ] [ -2.47467 4.61494 2.42585 ] [ -2.20528 4.48473 5.38766 ] [ -2.2849 4.61478 7.5475 ] [ -3.9574 6.8338 0.172976 ] [ -3.90761 6.93753 2.48565 ] [ -3.64507 6.95312 4.73982 ] [ -3.5426 6.91159 7.78603 ] [ 2.52795 -0.310365 -0.369098 ] [ 2.69324 -0.180435 2.80636 ] [ 2.92512 0.0462496 4.76527 ] [ 3.01062 0.000193476 7.78312 ] [ 1.17991 2.44324 -0.367804 ] [ 1.3379 2.45731 2.6923 ] [ 1.54349 2.25116 5.08137 ] [ 1.65192 2.37104 8.00237 ] [ 0.0723763 4.58497 -0.0303845 ] [ 0.201293 4.60391 2.6561 ] [ 0.41827 4.45556 4.65494 ] [ 0.691588 4.65299 7.63588 ] [ -1.10421 6.82646 0.0167637 ] [ -0.967401 7.06783 2.49662 ] [ -0.845113 6.78562 5.32897 ] [ -0.82021 7.12449 7.28985 ] [ 5.32205 -0.118658 -0.348466 ] [ 5.81019 -0.0182185 2.34478 ] [ 5.54606 -0.0614118 4.94528 ] [ 5.57733 -0.09279 7.37554 ] [ 4.01914 2.22742 -0.502342 ] [ 3.87092 2.14677 2.31781 ] [ 4.19913 2.17952 4.72485 ] [ 4.25309 2.4327 7.64504 ] [ 2.70908 4.53405 0.098187 ] [ 2.79206 4.554 2.12947 ] [ 3.06724 4.75998 5.21523 ] [ 2.96735 4.38657 7.87584 ] [ 1.26698 7.07182 -0.0336983 ] [ 1.37352 7.04775 2.13236 ] [ 1.51659 7.20053 5.19239 ] [ 1.90047 6.72082 7.20278 ] [ 8.04564 -0.277691 -0.235238 ] [ 7.99699 -0.0739306 2.1822 ] [ 8.04545 0.116206 4.92256 ] [ 8.221 -0.135646 7.47738 ] [ 6.49702 2.15024 -0.402096 ] [ 6.6679 1.98011 2.41643 ] [ 6.83305 2.17661 4.80135 ] [ 6.96826 1.97425 7.32397 ] [ 5.63388 4.7883 -0.450782 ] [ 5.53199 4.46923 2.29328 ] [ 5.5418 4.49605 4.84509 ] [ 5.75163 4.66616 7.91371 ] [ 3.98872 6.71969 -0.366761 ] [ 3.98944 6.64268 2.15287 ] [ 4.28251 6.79592 5.29386 ] [ 4.26871 6.64573 7.50153 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.24766e-11 -2.54336e-12 3.01791e-12 ] [ 4.2097600000000006e-11 -1.59557e-11 2.5311e-10 ] [ 2.7480700000000002e-11 -2.5290000000000002e-12 5.30948e-10 ] [ 2.1379200000000002e-11 -2.34977e-12 7.58212e-10 ] [ -1.202e-10 2.37613e-10 -8.0569e-12 ] [ -1.15815e-10 1.84991e-10 2.6909299999999997e-10 ] [ -9.91192e-11 2.23964e-10 5.61161e-10 ] [ -9.7293e-11 2.2989799999999999e-10 7.60055e-10 ] [ -2.91373e-10 4.5314899999999997e-10 8.356740000000001e-12 ] [ -2.47467e-10 4.61494e-10 2.42585e-10 ] [ -2.2052800000000002e-10 4.4847300000000003e-10 5.387660000000001e-10 ] [ -2.2849e-10 4.61478e-10 7.547500000000001e-10 ] [ -3.9573999999999997e-10 6.833800000000001e-10 1.72976e-11 ] [ -3.90761e-10 6.93753e-10 2.48565e-10 ] [ -3.6450700000000004e-10 6.953120000000001e-10 4.73982e-10 ] [ -3.5426e-10 6.91159e-10 7.78603e-10 ] [ 2.52795e-10 -3.10365e-11 -3.69098e-11 ] [ 2.69324e-10 -1.80435e-11 2.8063600000000004e-10 ] [ 2.92512e-10 4.6249600000000005e-12 4.76527e-10 ] [ 3.01062e-10 1.93476e-14 7.783120000000001e-10 ] [ 1.17991e-10 2.4432399999999997e-10 -3.6780400000000006e-11 ] [ 1.3379e-10 2.45731e-10 2.6923e-10 ] [ 1.54349e-10 2.25116e-10 5.08137e-10 ] [ 1.6519200000000002e-10 2.3710399999999997e-10 8.002370000000001e-10 ] [ 7.237630000000001e-12 4.5849700000000005e-10 -3.03845e-12 ] [ 2.0129300000000002e-11 4.60391e-10 2.6561e-10 ] [ 4.1827e-11 4.4555600000000003e-10 4.65494e-10 ] [ 6.91588e-11 4.6529900000000003e-10 7.63588e-10 ] [ -1.10421e-10 6.82646e-10 1.67637e-12 ] [ -9.67401e-11 7.06783e-10 2.49662e-10 ] [ -8.45113e-11 6.78562e-10 5.328970000000001e-10 ] [ -8.2021e-11 7.12449e-10 7.28985e-10 ] [ 5.32205e-10 -1.18658e-11 -3.48466e-11 ] [ 5.81019e-10 -1.82185e-12 2.3447800000000004e-10 ] [ 5.54606e-10 -6.14118e-12 4.94528e-10 ] [ 5.57733e-10 -9.279e-12 7.37554e-10 ] [ 4.0191400000000005e-10 2.2274200000000002e-10 -5.02342e-11 ] [ 3.87092e-10 2.14677e-10 2.3178100000000003e-10 ] [ 4.1991300000000003e-10 2.1795200000000002e-10 4.72485e-10 ] [ 4.2530900000000005e-10 2.4327000000000003e-10 7.64504e-10 ] [ 2.7090800000000003e-10 4.53405e-10 9.8187e-12 ] [ 2.7920600000000003e-10 4.5540000000000005e-10 2.12947e-10 ] [ 3.06724e-10 4.75998e-10 5.21523e-10 ] [ 2.96735e-10 4.38657e-10 7.87584e-10 ] [ 1.26698e-10 7.07182e-10 -3.36983e-12 ] [ 1.3735200000000001e-10 7.04775e-10 2.13236e-10 ] [ 1.5165900000000001e-10 7.20053e-10 5.192389999999999e-10 ] [ 1.90047e-10 6.72082e-10 7.20278e-10 ] [ 8.045640000000001e-10 -2.7769100000000002e-11 -2.35238e-11 ] [ 7.99699e-10 -7.39306e-12 2.1822e-10 ] [ 8.045450000000001e-10 1.1620600000000002e-11 4.92256e-10 ] [ 8.221000000000001e-10 -1.3564599999999999e-11 7.47738e-10 ] [ 6.497020000000001e-10 2.1502400000000003e-10 -4.0209600000000004e-11 ] [ 6.6679e-10 1.98011e-10 2.4164300000000003e-10 ] [ 6.83305e-10 2.1766100000000004e-10 4.80135e-10 ] [ 6.96826e-10 1.9742500000000002e-10 7.32397e-10 ] [ 5.63388e-10 4.7883e-10 -4.50782e-11 ] [ 5.531990000000001e-10 4.4692299999999997e-10 2.2932800000000003e-10 ] [ 5.5418e-10 4.4960500000000007e-10 4.84509e-10 ] [ 5.751629999999999e-10 4.66616e-10 7.91371e-10 ] [ 3.98872e-10 6.71969e-10 -3.66761e-11 ] [ 3.98944e-10 6.642680000000001e-10 2.1528700000000001e-10 ] [ 4.2825100000000005e-10 6.79592e-10 5.293859999999999e-10 ] [ 4.2687099999999995e-10 6.64573e-10 7.50153e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1717094000000001 5.150575600000001 2.6384708000000003 ] [ -15.630773600000003 20.005630600000003 -1.9932289000000005 ] [ 0.6909676 2.3284307000000006 -13.318711700000003 ] [ 1.9406368000000005 2.9166630000000002 12.060312300000003 ] [ 2.0841872000000006 0.11304330000000005 5.900847400000001 ] [ -0.5445206000000001 6.786861700000002 0.4595621000000001 ] [ -0.1267808000000009 0.7741829999999995 -118.05028760000003 ] [ 1.9537290000000014 4.554021300000001 109.10960800000002 ] [ 67.68645830000001 -10.988364600000002 7.771468300000002 ] [ 5.7747869000000005 1.3073551000000003 2.0407475000000006 ] [ 4.312912100000001 -2.6416705000000005 -35.770417200000004 ] [ -2.9011243 1.7310741000000007 34.73343520000001 ] [ -3.297530300000001 -3.912573300000001 -5.7704070000000005 ] [ 5.680588200000001 -23.058981600000003 -6.899642000000002 ] [ 2.7917529000000005 -1.5242955000000005 13.025783100000004 ] [ 1.5240491000000005 -2.2578803000000005 -2.8868198000000005 ] [ 3.659322200000002 -8.876006500000003 102.56409730000003 ] [ 0.9761826999999994 -8.521084100000001 -105.21815550000002 ] [ 11.151311300000001 8.938678400000002 105.01044540000002 ] [ 3.9831868 17.885961500000004 -103.09594290000003 ] [ -10.943391099999998 26.18379470000001 408.64433860000014 ] [ 0.5226913000000001 -0.14973710000000007 -2.8506051000000006 ] [ 0.31285930000000006 -1.9273140000000004 1.5659616000000005 ] [ 15.1000655 -27.746186000000012 -408.6901358000001 ] [ 3.9690217000000008 -2.2005794000000005 -1.2792390000000002 ] [ -7.717529600000002 9.856053100000002 -96.63709140000003 ] [ 6.235860900000002 -6.466468300000001 100.71314020000003 ] [ -12.901544400000004 -1.4518179000000002 -1.1312427000000003 ] [ -10.557246100000002 -5.5455684000000005 1.5993695000000006 ] [ -10.410906800000001 -5.365591700000001 0.41228710000000013 ] [ -2.6161058000000015 -19.651794800000005 -102.26322460000003 ] [ -13.233643200000003 -5.294743 102.02360020000003 ] [ -6.627987600000002 13.892484500000004 -0.40916370000000013 ] [ -32.72901070000001 -1.5669915000000005 4.178444100000001 ] [ -16.293897900000005 12.313357000000003 -4.256064300000001 ] [ 5.666257300000001 19.921860400000003 1.1434568000000003 ] [ 8.024095000000003 -7.873778800000001 108.25788370000002 ] [ -1.4002608000000003 -0.5106301000000001 -2.3229594000000002 ] [ -0.5437455000000001 0.6021609000000001 2.8480069000000006 ] [ -16.195062000000004 3.7279083000000006 -104.97636050000003 ] [ -6.030598200000003 -1.1094445000000006 -81.56449380000001 ] [ 0.6459273000000008 -1.6118302 87.26170480000002 ] [ -6.945295100000002 -6.0726691000000015 0.6016040000000001 ] [ 13.177092500000004 2.9699933000000005 -9.153379100000002 ] [ 5.851672000000001 -15.534656400000003 -13.159700300000004 ] [ 2.7490431000000006 -31.293014600000006 12.889218600000003 ] [ -0.18368330000000033 -5.872419100000001 -40.25828010000001 ] [ 7.708131400000002 -6.025049700000002 40.753460100000005 ] [ 5.398452600000001 6.826103400000002 1.1598921000000002 ] [ 28.793733600000007 -2.9382072000000004 -2.9083564000000006 ] [ 13.233433700000004 -2.4974996000000003 -0.9110600000000002 ] [ -1.6247732000000004 -0.24090140000000004 -0.35780910000000005 ] [ 0.2785586000000001 0.7945416000000002 4.406865900000001 ] [ 5.843014100000001 33.513071000000004 -0.24414800000000006 ] [ -0.23555720000000005 5.7213156000000005 0.8768244000000002 ] [ 1.0468033000000003 5.452477600000001 -1.6361540000000006 ] [ -21.6206099 38.992146700000006 308.56901990000006 ] [ -4.3392493000000005 -1.9374581000000004 1.0775003000000003 ] [ 3.497056400000001 -0.4872441000000001 -0.9535364000000002 ] [ -46.804640000000006 -26.819138800000008 -318.55952290000005 ] [ 3.819368100000001 -5.1899538000000005 15.711149000000004 ] [ 0.8458743000000002 2.9031106000000007 2.0785850000000003 ] [ 3.0509443000000007 7.620654500000001 -21.136986200000003 ] [ 1.3037305000000001 -8.621967300000001 6.576035300000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.8772854070515956e-09 8.252131809982934e-09 4.2272962304234735e-09 ] [ -2.5043260026937856e-08 3.205255363168108e-08 -3.193504743482902e-09 ] [ 1.107052134450286e-09 3.73055723069298e-09 -2.133892850491543e-08 ] [ 3.1092429104241264e-09 4.673009269352391e-09 1.9322750406606682e-08 ] [ 3.3392360052106147e-09 1.8111533239808073e-10 9.454199747188467e-09 ] [ -8.724181748639888e-10 1.0873751144342948e-08 7.362996524257518e-10 ] [ -2.0312523372632208e-10 1.2403779028208056e-09 -1.891374108714362e-07 ] [ 3.1302189271789654e-09 7.296346457485225e-09 1.748128630422527e-07 ] [ 1.0844566103301413e-07 -1.7605300862946348e-08 1.2451264819548324e-08 ] [ 9.252228561282108e-09 2.0946137763036466e-09 3.269637933456049e-09 ] [ 6.910046934185434e-09 -4.232422714957047e-09 -5.7310526154102204e-08 ] [ -4.648113527494766e-09 2.7734864518924025e-09 5.564909783751179e-08 ] [ -5.283225953039612e-09 -6.268633468426306e-09 -9.245211187900666e-09 ] [ 9.101305606432356e-09 -3.6944561218977386e-08 -1.1054445104289758e-08 ] [ 4.472881227430601e-09 -2.442190613290647e-09 2.0869605150431755e-08 ] [ 2.441795836971282e-09 -3.617523029224891e-09 -4.625195192022533e-09 ] [ 5.862880476814425e-09 -1.422093010036884e-08 1.6432579882751645e-07 ] [ 1.5640170995694192e-09 -1.3652281728890612e-08 -1.6857806882579897e-07 ] [ 1.786637025612286e-08 1.4321341553329955e-08 1.6824528055967495e-07 ] [ 6.381768767239166e-09 2.8656469355828905e-08 -1.651779094137118e-07 ] [ -1.7533245372690792e-08 4.195106371216697e-08 6.547204055271992e-07 ] [ 8.374437807555592e-10 -2.399052808863918e-10 -4.567172846353247e-09 ] [ 5.012558560598535e-10 -3.087897431740532e-09 2.5089470645905623e-09 ] [ 2.4192971916648664e-08 -4.445429052556829e-08 -6.547937807303373e-07 ] [ 6.3590737751878726e-09 -3.5257168668940923e-09 -2.0495668182155715e-09 ] [ -1.236484549545198e-08 1.579113785018337e-08 -1.548296885431928e-07 ] [ 9.990950544540851e-09 -1.0360424329404323e-08 1.6136023863579267e-07 ] [ -2.067055280989317e-08 -2.3260686970389527e-09 -1.8124506063906686e-09 ] [ -1.6914572881451984e-08 -8.884980039527264e-09 2.5624724209205864e-09 ] [ -1.6680111476287745e-08 -8.596625578498529e-09 6.605567526774319e-10 ] [ -4.191463550299283e-09 -3.148564618531902e-08 -1.638437476217395e-07 ] [ -2.1202633743048903e-08 -8.483113447744455e-09 1.6345982701028625e-07 ] [ -1.0619206775672306e-08 2.2258213870726383e-08 -6.555525142200251e-10 ] [ -5.243765576545306e-08 -2.510597146292324e-09 6.694605448339699e-09 ] [ -2.6105702277082225e-08 1.972817270896403e-08 -6.8189667180815195e-09 ] [ 9.078344973497333e-09 3.191833897572134e-08 1.8320197518547819e-09 ] [ 1.285601741207818e-08 -1.2615184310710682e-08 1.7344825028142544e-07 ] [ -2.243465116782705e-09 -8.181196080967663e-10 -3.721791241747596e-09 ] [ -8.711763277652066e-10 9.64768115939887e-10 4.563010071057084e-09 ] [ -2.5947349708806497e-08 5.9727675227462735e-09 -1.6819067052977265e-07 ] [ -9.662083445478568e-09 -1.7775260399751466e-09 -1.3068072505374656e-07 ] [ 1.034889618796469e-09 -2.5824366631393883e-09 1.3980866332171119e-07 ] [ -1.1127589433776802e-08 -9.72948845787458e-09 9.638758637797635e-10 ] [ 2.111202953361903e-08 4.758453829192642e-09 -1.4665329995339349e-08 ] [ 9.375412070989979e-09 -2.4889263296241098e-08 -2.1084164157394754e-08 ] [ 4.404452584391558e-09 -5.0136936386473076e-08 2.0650804701300513e-08 ] [ -2.942930888913932e-10 -9.40865258955938e-09 -6.45008751698379e-08 ] [ 1.2349787919134377e-08 -9.653193768498057e-09 6.529424098892564e-08 ] [ 8.649274544216976e-09 1.0936623278643394e-08 1.8583520052706161e-09 ] [ 4.613264679946343e-08 -4.70752688290623e-09 -4.659700629034054e-09 ] [ 2.120229808704685e-08 -4.001435469577352e-09 -1.4596790321460484e-09 ] [ -2.6031736351424033e-09 -3.859665909979892e-10 -5.732733747294894e-10 ] [ 4.4630007644277905e-10 1.2729959757730255e-09 7.060577515980752e-09 ] [ 9.361540586024756e-09 5.3693858847410484e-08 -3.9116821761507853e-10 ] [ -3.7740423870110985e-10 9.166558094538325e-09 1.4048275542269879e-09 ] [ 1.6771637738362892e-09 8.735832136155696e-09 -2.621407686828404e-09 ] [ -3.464003570921703e-08 6.247230583754389e-08 4.9438206958695e-07 ] [ -6.952243780282766e-09 -3.1041500715995894e-09 1.7263457895649868e-09 ] [ 5.602902005699015e-09 -7.806511056427375e-10 -1.5277337271617975e-09 ] [ -7.498929995296053e-08 -4.296899717535018e-08 -5.103886199235823e-07 ] [ 6.119302276049318e-09 -8.31522264139212e-09 2.5172035613705308e-08 ] [ 1.3552400275955658e-09 4.651295930916662e-09 3.330260291345569e-09 ] [ 4.8881516288230224e-09 1.2209634475094317e-08 -3.386518512381224e-08 ] [ 2.088806526923895e-09 -1.3813914433362103e-08 1.0535970015215517e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 20.160072 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.22999960320447e-18 } }